CID 16661827

Chembl213995

Structural Information

Molecular Formula

C₁₁H₂₅NO

SMILES

CCCCCCC(C)(CN(C)C)O

InChI

InChI=1S/C11H25NO/c1-5-6-7-8-9-11(2,13)10-12(3)4/h13H,5-10H2,1-4H3

InChIKey

PYKFBRVXPZDKSS-UHFFFAOYSA-N

Compound name

1-(dimethylamino)-2-methyloctan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 187.19362 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	188.20090	149.4
[M+Na]+	210.18284	153.9
[M-H]-	186.18634	149.1
[M+NH4]+	205.22744	169.2
[M+K]+	226.15678	153.6
[M+H-H2O]+	170.19088	144.3
[M+HCOO]-	232.19182	170.2
[M+CH3COO]-	246.20747	190.3
[M+Na-2H]-	208.16829	153.3
[M]+	187.19307	152.0
[M]-	187.19417	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe